2-(2-chlorophenyl)-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]acetamide

C24H30ClN3O — CID 16993644

About 2-(2-chlorophenyl)-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]acetamide

2-(2-chlorophenyl)-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]acetamide (PubChem CID 16993644) has the molecular formula C24H30ClN3O and a molecular weight of 411.98 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]acetamide.

Molecular Properties

• Compound Name: 2-(2-chlorophenyl)-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]acetamide
• PubChem CID: 16993644
• Molecular Formula: C24H30ClN3O
• Molecular Weight: 411.98 g/mol
• Exact Mass: 411.21
• IUPAC Name: 2-(2-chlorophenyl)-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]acetamide
• SMILES: CC(C)Cn1c(CCCCCNC(=O)Cc2ccccc2Cl)nc2ccccc21
• InChI: InChI=1S/C24H30ClN3O/c1-18(2)17-28-22-13-8-7-12-21(22)27-23(28)14-4-3-9-15-26-24(29)16-19-10-5-6-11-20(19)25/h5-8,10-13,18H,3-4,9,14-17H2,1-2H3,(H,26,29)
• InChIKey: DTGVFOLHHCVNGB-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	411.98
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]acetamide?

The IUPAC name of 2-(2-chlorophenyl)-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]acetamide (CID 16993644) is 2-(2-chlorophenyl)-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]acetamide.

What is the SMILES notation for 2-(2-chlorophenyl)-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]acetamide?

The canonical SMILES for 2-(2-chlorophenyl)-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]acetamide is CC(C)Cn1c(CCCCCNC(=O)Cc2ccccc2Cl)nc2ccccc21.

What is the InChIKey of 2-(2-chlorophenyl)-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]acetamide?

The InChIKey is DTGVFOLHHCVNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O/c1-18(2)17-28-22-13-8-7-12-21(22)27-23(28)14-4-3-9-15-26-24(29)16-19-10-5-6-11-20(19)25/h5-8,10-13,18H,3-4,9,14-17H2,1-2H3,(H,26,29).

What are the key properties of 2-(2-chlorophenyl)-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]acetamide?

2-(2-chlorophenyl)-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]acetamide has a molecular weight of 411.98 g/mol, XLogP of 5.42, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorophenyl)-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 16993644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).